Geometry & MOs

Info

ID:	15004
PubChem CID:	426841
Reduced:	ClNSH4O5C6 (1)
Stoich.:	ABCD4E5F6 (1)
Weight, g/mol:	236.949871
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	5.48
IP(EA), eV:	-10.95(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-nitrobenzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)O

DOS

IR

Vibrations